SCHEMBL1031266

SCHEMBL1031266

Cc1cn(CC(C)C)c(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)c1-c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.44
TACR1 P25103 5/20 0.44
P2RX1 P51575 1/20 0.42
TMPRSS4 Q9NRS4 1/20 0.42
ELANE P08246 2/20 0.41
CYP3A4 P08684 2/20 0.40
NAMPT P43490 1/20 0.39
MEN1 O00255 1/20 0.39
PLA2G1B P04054 1/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
DDR1 Q08345 1/20 0.39
RHOC P08134 1/20 0.38
RHOA P61586 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1031423 0.86 CYP3A4 (0.40) CCR1TACR1P2RX1TMPRSS4ELANE
SCHEMBL1032354 0.78 ALDH1A1 (0.44) MEN1KMT2ATDP1
SCHEMBL1027589 0.76 MAPT (0.41) MEN1GAAKMT2ATDP1
SCHEMBL1032465 0.72 TP53 (0.42) MEN1KMT2A
SCHEMBL1031707 0.71 POLB (0.46) MEN1GAACYP2C19KMT2A
SCHEMBL1032566 0.70 AURKA (0.47) CYP3A4MEN1CYP1A2KMT2A
SCHEMBL1030744 0.70 POLB (0.47) MEN1KMT2A
SCHEMBL1032074 0.70 RAB9A (0.39) MEN1KMT2ATDP1
SCHEMBL1031804 0.69 ALDH1A1 (0.42) TACR1MEN1KMT2A
SCHEMBL13812913 0.68 TMPRSS4 (0.86) P2RX1TMPRSS4CYP3A4MEN1PLA2G1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968591-B2 1,3-disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their use in medicaments GRUENENTHAL GMBH (DE) 2011-06-28 US claimed
EP-2035375-B1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2011-01-19 EP claimed
US-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments GRUENENTHAL GMBH (DE) 2009-05-28 US claimed
US-7968591-B2 1,3-disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their use in medicaments GRUENENTHAL GMBH (DE) 2011-06-28 US disclosed
US-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments GRUENENTHAL GMBH (DE) 2009-05-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments OPRL1, TPH1, OPRK1 CCR1 1184/4885TACR1 270/4885P2RX1 27/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.